4-{5-[3-({4-[(2-Hydroxyethyl)sulfanyl]pyrimidin-2-yl}amino)-5-methylphenyl]-1,3-thiazol-2-yl}-1,4-diazepan-2-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1cc(Nc2nccc(SCCO)n2)cc(-c2cnc(N3CCCNC(=O)C3)s2)c1- InChIKey
YTUFOACOACLOMI-UHFFFAOYSA-N- Molecular formula
- C21H24N6O2S2
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- 4-{5-[3-({4-[(2-Hydroxyethyl)sulfanyl]pyrimidin-2-yl}amino)-5-methylphenyl]-1,3-thiazol-2-yl}-1,4-diazepan-2-one
- IUPAC
- 4-[5-[3-[[4-(2-hydroxyethylsulfanyl)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]-1,4-diazepan-2-one
Names & synonyms
SCHEMBL14121657YTUFOACOACLOMI-UHFFFAOYSA-N4-{5-[3-({4-[(2-hydroxyethyl)sulfanyl]pyrimidin-2-yl}amino)-5-methylphenyl]-1,3-thiazol-2-yl}-1,4-diazepan-2-one
Database identifiers
- PubChem CID
- 71075151
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 588
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…